タイトル | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. |
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ジャーナル・号・ページ | Acs Med. Chem. Lett., Vol. 4, Page 201-205, Year 2013 |
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掲載日 | 2012年12月3日 (構造データの登録日) |
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著者 | Sogabe, S. / Kawakita, Y. / Igaki, S. / Iwata, H. / Miki, H. / Cary, D.R. / Takagi, T. / Takagi, S. / Ohta, Y. / Ishikawa, T. |
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リンク | Acs Med. Chem. Lett. / PubMed:24900643 |
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手法 | X線回折 |
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解像度 | 1.9 - 2.35 Å |
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構造データ | PDB-3w2o: EGFR Kinase domain T790M/L858R Mutant with TAK-285 手法: X-RAY DIFFRACTION / 解像度: 2.35 Å PDB-3w2p: EGFR Kinase domain T790M/L858R mutant with compound 2 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-3w2q: EGFR kinase domain T790M/L858R mutant with HKI-272 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-3w2r: EGFR Kinase domain T790M/L858R mutant with compound 4 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-3w2s: EGFR kinase domain with compound4 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å |
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化合物 | ChemComp-03P: N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide / TAK-285
ChemComp-W2P: N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide
ChemComp-HKI: N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide
ChemComp-W2R: 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE/TRANSFERASE INHIBITOR / ANTI-ONCOGENE / CELL CYCLE / DISEASE MUTATION / KINASE DOMAIN / RECEPTOR / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex |
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